NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7731 8.1700 119.7012 53.1995 41.1085 175.5026 2 H 3.6054 8.6030 117.3500 59.4901 29.5137 175.4295 3 Y 4.0685 7.8407 118.2249 60.9891 38.1339 177.4610 4 N 4.3492 8.7597 118.2673 56.5180 39.0176 176.1246 5 C 4.1204 8.3041 120.1633 59.6124 38.1738 175.4278 6 V 3.5163 7.8506 120.2438 66.3562 30.8963 178.2093 7 S 4.2734 7.9941 112.2177 60.5119 63.0674 175.3613 8 S 4.5449 7.9248 116.0834 58.1165 63.3079 174.8533 9 G 3.7987 7.8772 110.7732 45.6561 0.0000 173.6023 10 G 4.0254 7.6259 107.1741 44.8805 0.0000 173.1600 11 Q 4.7580 8.7557 120.6788 54.1805 31.8848 173.6533 12 C 4.9289 8.7714 123.9894 56.5786 39.7439 173.0319 13 L 4.8682 8.8599 123.6601 53.2853 44.8397 177.5978 14 Y 3.9822 9.0346 121.6124 60.7092 38.2215 176.2919 15 S 4.4663 7.9126 113.0839 57.1542 64.3815 173.1927 16 A 4.2738 8.1520 122.9010 51.5062 18.8363 178.1232 17 C 4.3487 8.5618 117.8837 56.3830 40.8550 172.6433 18 P 4.4803 0.0000 0.0000 62.4930 31.7348 176.8851 19 I 3.5045 8.5103 121.0895 64.4752 37.6437 176.9747 20 F 4.5077 8.1508 115.2638 58.4458 39.1446 175.1247 21 T 4.6518 7.9251 111.3315 59.9278 71.0166 173.6306 22 K 4.7769 7.8363 119.4485 54.2968 36.7938 175.9219 23 I 4.3191 8.4133 123.4876 61.9098 37.2297 175.9872 24 Q 4.4497 10.6153 124.9457 55.2548 30.4098 176.4329 25 G 3.8205 6.7807 106.0255 45.2248 0.0000 170.9487 26 T 4.9528 7.6212 108.6371 59.9064 72.1942 172.9677 27 C 4.6987 8.0672 117.9105 56.1085 42.6205 173.3434 28 Y 3.6831 8.5503 115.4961 59.5430 34.1577 169.9608 29 R 3.5472 8.6835 111.0632 57.6762 28.6022 176.5622 30 G 3.9974 8.5129 103.1706 44.6582 0.0000 174.6678 31 E 4.2436 7.7414 117.1862 57.2273 30.2725 176.0043 32 A 4.6180 7.7162 119.5302 49.7382 22.6835 175.3108 33 K 4.5563 8.6728 118.6989 55.1769 34.8580 175.3851 34 C 4.9814 8.8204 124.6094 55.7365 44.7742 171.5564 35 C 5.5193 9.0374 124.7335 55.2426 42.9438 174.2865 36 K 4.1598 8.6630 122.9522 56.9582 31.7206 175.3835 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 D 8.17 4.77 0.00 2.83 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 H 8.60 3.61 0.00 3.11 3.11 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.84 4.07 0.00 3.14 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.76 4.35 0.00 2.97 2.79 0.00 0.00 6.80 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.30 4.12 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.85 3.52 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.78 0.00 0.00 7 S 7.99 4.27 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.92 4.54 0.00 4.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.63 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.76 4.76 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 12 C 8.77 4.93 0.00 2.86 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.86 4.87 0.00 1.48 1.62 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.03 3.98 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.91 4.47 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.15 4.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.56 4.35 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.48 0.00 2.23 2.03 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 19 I 8.51 3.50 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.51 0.00 0.00 20 F 8.15 4.51 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.93 4.65 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 22 K 7.84 4.78 0.00 1.68 1.68 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 23 I 8.41 4.32 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.45 0.94 0.00 0.00 24 Q 10.62 4.45 0.00 1.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.04 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 25 G 6.78 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.62 4.95 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 27 C 8.07 4.70 0.00 1.79 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.55 3.68 0.00 3.20 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.68 3.55 0.00 2.00 2.07 0.00 3.30 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 30 G 8.51 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.74 4.24 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 32 A 7.72 4.62 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.67 4.56 0.00 1.63 1.66 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.31 7.81 34 C 8.82 4.98 0.00 2.85 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.04 5.52 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.66 4.16 0.00 1.71 1.59 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.50 7.81